Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 15:52, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 455637546 of page Guanfacine for the Chem/Drugbox validation project (updated: 'DrugBank', 'KEGG').← Previous edit		Revision as of 15:54, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 454099034 of page Guanosine_diphosphate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|~~drugbox~~}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
	\| verifiedrevid = ~~418556829~~		\| verifiedrevid = 448574846
			\|ImageFile=Guanosindiphosphat protoniert.svg
	\| IUPAC_name = ''N''-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
			\|ImageSize=
	\| image = Guanfacine.svg
			\|IUPACName=

			\|OtherNames=
	<!--Clinical data-->
			\|Section1={{Chembox Identifiers
	\| tradename = Tenex
			\| CASNo = <!-- blanked - oldvalue: 146-91-8 -->
	\| Drugs.com = {{drugs.com\|monograph\|guanfacine}}
	\| ~~MedlinePlus~~ = ~~a601059~~		\| ChEMBL = 384759
		⚫	\| PubChem=730
	\| pregnancy_category = B
		⚫	\| IUPHAR_ligand = 2410
	\| legal_status = Rx-only
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| routes_of_administration = oral, ]
		⚫	\| ChemSpiderID = 8630

		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	<!--Pharmacokinetic data-->
			\| ChEBI = 17552
	\| bioavailability = 99.9%
	\| protein_bound =
	\| metabolism =
	\| elimination_half-life = 14.8–18.3 h
	\| excretion = renal

	<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number = 29110-47-2
	\| ATC_prefix = C02
	\| ATC_suffix = AC02
	\| ATC_supplemental =
⚫	\| PubChem = ~~3519~~
⚫	\| IUPHAR_ligand = ~~522~~
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB01018
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~3399~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = 30OMY4G3MK
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = D04398
⚫	\| ~~ChEMBL_Ref~~ = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 862

	<!--Chemical data-->
	\| C=9 \| H=9 \| Cl=2 \| N=3 \| O=1
	\| molecular_weight = 246.093 g/mol
	\| smiles = Clc1cccc(Cl)c1CC(=O)\N=C(/N)N
	\| InChI = 1/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
	\| InChIKey = INJOMKTZOLKMBF-UHFFFAOYAS
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C9H9Cl2N3O~~/~~c10~~-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,~~4H2~~,(H4,12,13,14,15)		\| StdInChI = 1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~INJOMKTZOLKMBF~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = QGWNDRXFNXRZMB-UUOKFMHZSA-N
			\| SMILES=C1=NC2=C(N1C3C(C(C(O3)COP (=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N
			}}
			\|Section2={{Chembox Properties
			\| Formula=C<sub>10</sub>H<sub>15</sub>N<sub>5</sub>O<sub>11</sub>P<sub>2</sub>
			\| MolarMass=443.200522
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3={{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 15:54, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 454099034 of page Guanosine_diphosphate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers

3D model (JSmol)	Interactive image
ChEBI	CHEBI:17552
ChEMBL	ChEMBL384759
ChemSpider	8630
IUPHAR/BPS	2410
PubChem CID	730
InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1Key: QGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES C1=NC2=C(N1C3C(C(C(O3)COP (=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N
Properties
Chemical formula	C₁₀H₁₅N₅O₁₁P₂
Molar mass	443.200522
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound